Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 6Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28677
- Core Entity Id
- 35061
- Source Entity Count
- 1
- Preferred Name
- Orsellinic acid
- Name En
- Pubchem Id
- 68072
- Smiles Canonical
- CC1=CC(=CC(=C1C(=O)O)O)O
- Molecular Formula
- C8H8O4
- Molecular Weight
- 168.1480
- Inchikey
- AMKYESDOVDKZKV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
- Isomeric Smiles
- CC1=CC(=CC(=C1C(=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1044
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Orsellinic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Orsellinic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Orsellinic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红石耳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG SHI ER
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Red-Rock-Ears
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,4-Dihydroxy-6-methylbenzoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-dihydroxy-6-methyl-benzoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,6-Dihydroxy-o-toluic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6-Dihydroxy-o-toluic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-64-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
480-64-8
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzoic acid, 2,4-dihydroxy-6-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00210536
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00210536
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orcinolcarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orcinolcarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Orsellic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Orsellic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Orsellinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
o-Orsellinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
orsellinicacid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红石耳HONG SHI ERRed-Rock-Ears2,4-Dihydroxy-6-methylbenzoic acid2,4-dihydroxy-6-methyl-benzoic acid4,6-Dihydroxy-o-toluic acid480-64-8Benzoic acid, 2,4-dihydroxy-6-methyl-MFCD00210536Orcinolcarboxylic acidOrsellic acido-Orsellinic acidorsellinicacid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038305
Npass
NPC262671
Tcmid
1620733509
Pub Chem
68072
Tcmbank
TCMBANKIN037699
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
Mol Wt
168.148
Mol Log P
1.10442
In Ch Ikey
AMKYESDOVDKZKV-UHFFFAOYSA-N
Tcm Name
红石耳
Tcm Name2
HONG SHI ER
Mol2 Path
/TCM_database/2007_3d_all/16218.mol2
Reference
2807, 2808
Num Hdonors
3
Tcm Name En
Red-Rock-Ears
Drug Likeness
0.586
Num Hacceptors
3
Isomeric Smiles
CC1=CC(=CC(=C1C(=O)O)O)O
Canonical Smiles
CC1=CC(=CC(=C1C(=O)O)O)O
Herb Alias Names
2,4-Dihydroxy-6-methylbenzoic acid480-64-8o-Orsellinic acidOrsellic acidOrcinolcarboxylic acid2,4-dihydroxy-6-methyl-benzoic acid4,6-Dihydroxy-o-toluic acidBenzoic acid, 2,4-dihydroxy-6-methyl-MFCD00210536
Molecular Weight
168.15 g/mol
Molecular Formula
C8H8O4
Num Rotatable Bonds
1